SEQ2FUN

BioLiP

PDB CCD ID: 9CG
Number of entries in BioLiP: 4
Chemical formula: C12 H8 O2
InChI: InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
InChIKey: UKOVZLWSUZKTRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccc3C(=O)OCc2c3c1ccc2
OpenEye OEToolkits 2.0.6c1cc2cccc3c2c(c1)COC3=O
CACTVS 3.385O=C1OCc2cccc3cccc1c23
Name:1H,3H-naphtho[1,8-cd]pyran-1-one
ChEMBL: CHEMBL1479195
ZINC: ZINC000000247810
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).